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methyl 2-{[(benzyloxy)carbonyl]amino}-2-methoxyacetate

methyl 2-{[(benzyloxy)carbonyl]amino}-2-methoxyacetate

CAS: 58237-86-8

Formula: C12H15NO5

SMILES: COC(NC(=O)OCC1=CC=CC=C1)C(=O)OC

IUPAC: methyl 2-{[(benzyloxy)carbonyl]amino}-2-methoxyacetate

InChI: InChI=1/C12H15NO5/c1-16-10(11(14)17-2)13-12(15)18-8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,15)

Composition: C (56.91%), H (5.97%), N (5.53%), O (31.59%)

Molar Mass: 253.254

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 253.095022587
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NNBQAZBSJUATDO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.4
Topological Polar Surface Area 73.86
Polarizability 24.81
Ring Count 1
Rotatable Bond Count 7

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